#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bns n ASN 5 N 0.00 0.05 -4.98 4.38 6.94 -1.26 -4.80 115.26 115.59 1bns n ASN 5 Ca 0.00 -1.71 -0.20 0.00 -0.02 0.00 0.00 54.58 52.65 1bns n ASN 5 Cb 0.00 -0.12 -0.01 0.00 -2.36 0.00 0.00 39.78 37.29 1bns n ASN 5 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1bns s THR 6 N 0.00 4.68 0.12 5.53 -4.23 -1.26 -1.08 115.64 119.40 1bns s THR 6 Ca 0.04 -0.95 -0.19 0.00 -1.18 0.00 0.00 61.69 59.41 1bns s THR 6 Cb 0.05 -3.65 -0.06 0.00 1.34 0.00 0.00 72.50 70.18 1bns s THR 6 CO -0.02 -0.26 1.78 -0.26 -0.54 0.00 0.00 174.62 175.32 1bns h PHE 7 N 1.00 0.26 -0.42 3.99 -1.00 -1.99 0.03 116.94 118.82 1bns h PHE 7 Ca -0.49 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.16 1bns h PHE 7 Cb 1.24 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 40.70 1bns h PHE 7 CO 0.44 0.17 -0.29 -0.44 -1.61 0.00 0.00 178.31 176.58 1bns h ASP 8 N 0.29 0.95 0.39 2.17 3.32 -1.99 -0.80 116.42 120.74 1bns h ASP 8 Ca 0.08 -0.39 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 1bns h ASP 8 Cb -0.03 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.23 1bns h ASP 8 CO -0.02 1.16 -0.43 1.23 -1.72 0.00 0.00 179.24 179.47 1bns h GLY 9 N 0.87 -1.02 0.99 2.75 0.00 -1.92 -0.34 103.07 104.40 1bns h GLY 9 Ca 0.09 0.50 -0.09 0.00 0.00 0.00 0.00 47.33 47.83 1bns h GLY 9 CO 0.08 -0.33 -0.08 -2.08 0.00 0.00 0.00 176.54 174.13 1bns h VAL 10 N -0.85 1.27 -0.83 4.60 2.07 -0.99 -2.07 116.25 119.45 1bns h VAL 10 Ca -0.03 -1.16 0.06 0.00 0.82 0.00 0.00 66.70 66.39 1bns h VAL 10 Cb 0.76 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.64 1bns h VAL 10 CO -0.09 0.39 0.51 0.00 0.02 0.00 0.00 177.57 178.40 1bns h ALA 11 N 0.86 1.13 -0.40 1.67 0.00 -1.06 -0.74 119.26 120.72 1bns h ALA 11 Ca 0.11 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1bns h ALA 11 Cb 0.60 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1bns h ALA 11 CO 0.04 0.25 0.12 -0.44 0.00 0.00 0.00 179.25 179.21 1bns h ASP 12 N 0.93 0.58 -0.40 0.00 3.32 -0.98 -1.57 116.42 118.31 1bns h ASP 12 Ca 0.36 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 1bns h ASP 12 Cb 0.16 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 1bns h ASP 12 CO -0.17 0.63 0.24 0.22 -1.72 0.00 0.00 179.24 178.45 1bns h TYR 13 N 0.49 0.52 -0.90 4.55 3.20 -0.90 -1.09 116.97 122.85 1bns h TYR 13 Ca 0.13 0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1bns h TYR 13 Cb 0.26 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.31 1bns h TYR 13 CO 0.01 0.37 0.58 -0.07 -1.64 0.00 0.00 178.16 177.41 1bns h LEU 14 N 0.53 0.96 -0.18 2.82 3.38 -1.03 0.39 115.31 122.19 1bns h LEU 14 Ca 0.14 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1bns h LEU 14 Cb -0.01 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1bns h LEU 14 CO -0.03 0.66 0.02 1.56 0.09 0.00 0.00 178.44 180.74 1bns h GLN 15 N 1.13 0.08 0.04 1.13 7.50 -0.88 0.76 115.11 124.86 1bns h GLN 15 Ca 0.36 -0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.38 1bns h GLN 15 Cb 0.01 -0.02 0.01 0.00 0.05 0.00 0.00 27.48 27.53 1bns h GLN 15 CO -0.12 0.05 -0.49 1.15 -1.50 0.00 0.00 178.83 177.92 1bns h THR 16 N 0.09 1.52 -0.00 -0.54 2.02 -0.99 -3.40 112.91 111.60 1bns h THR 16 Ca 0.08 -2.18 0.00 0.00 0.77 0.00 0.00 66.41 65.08 1bns h THR 16 Cb 0.09 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1bns h THR 16 CO -0.12 0.61 -0.78 -1.22 0.37 0.00 0.00 175.52 174.38 1bns n TYR 17 N -4.32 0.00 -3.37 3.16 4.01 0.14 -4.97 117.16 111.80 1bns n TYR 17 Ca -0.11 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.39 1bns n TYR 17 Cb 0.64 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.73 1bns n TYR 17 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1bns n HIS 18 N -1.38 -2.50 -3.61 -0.72 8.25 0.26 -4.95 115.22 110.56 1bns n HIS 18 Ca 0.03 0.81 -0.06 0.00 -0.26 0.00 0.00 57.72 58.24 1bns n HIS 18 Cb 0.26 -4.79 -0.02 0.00 1.12 0.00 0.00 29.99 26.56 1bns n HIS 18 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 1bns s LYS 19 N -6.08 0.95 0.45 -0.41 -2.85 -1.26 -5.07 119.74 105.46 1bns s LYS 19 Ca 0.48 -0.44 -0.21 0.00 -1.00 0.00 0.00 55.97 54.79 1bns s LYS 19 Cb -0.21 0.38 -0.10 0.00 -2.06 0.00 0.00 37.83 35.84 1bns s LYS 19 CO 0.59 -0.42 0.99 -0.51 0.10 0.00 0.00 175.35 176.10 1bns s LEU 20 N -2.68 3.94 1.11 2.77 1.43 -1.26 -4.04 118.68 119.94 1bns s LEU 20 Ca 0.08 1.82 -0.16 0.00 -1.03 0.00 0.00 54.13 54.85 1bns s LEU 20 Cb -0.01 -4.50 0.16 0.00 0.03 0.00 0.00 46.19 41.88 1bns s LEU 20 CO -0.04 -0.53 0.45 -2.65 0.23 0.00 0.00 176.35 173.80 1bns n PRO 21 N -0.67 -1.68 0.25 1.29 -0.02 -1.26 -4.89 135.00 128.02 1bns n PRO 21 Ca 0.08 -0.46 0.08 0.00 -2.02 0.00 0.00 63.50 61.17 1bns n PRO 21 Cb 0.53 -1.91 0.62 0.00 -0.02 0.00 0.00 33.50 32.72 1bns n PRO 21 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1bns h ASP 22 N -2.21 0.00 0.00 2.55 3.45 -1.96 -2.85 116.42 115.40 1bns h ASP 22 Ca -0.55 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.91 1bns h ASP 22 Cb 1.34 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.11 1bns h ASP 22 CO 0.42 0.05 0.00 -0.46 -1.57 0.00 0.00 179.24 177.68 1bns n ASN 23 N -4.41 0.00 -4.82 6.45 6.94 -1.26 -4.83 115.26 113.32 1bns n ASN 23 Ca -0.03 -0.80 -0.37 0.00 -0.02 0.00 0.00 54.58 53.36 1bns n ASN 23 Cb 0.14 0.00 -0.06 0.00 -2.36 0.00 0.00 39.78 37.49 1bns n ASN 23 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1bns s TYR 24 N -2.00 3.62 0.04 -2.53 1.51 -1.08 -1.48 117.35 115.43 1bns s TYR 24 Ca 0.20 0.75 0.02 0.00 -1.01 0.00 0.00 57.07 57.03 1bns s TYR 24 Cb 0.09 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 1bns s TYR 24 CO 0.15 0.58 -0.08 0.96 -1.11 0.00 0.00 175.55 176.05 1bns s ILE 25 N -0.69 0.57 0.91 2.71 -4.36 0.30 -4.86 121.20 115.78 1bns s ILE 25 Ca 0.19 -0.95 -0.12 0.00 -0.26 0.00 0.00 60.65 59.51 1bns s ILE 25 Cb -0.14 -0.60 0.14 0.00 1.25 0.00 0.00 42.46 43.10 1bns s ILE 25 CO 0.08 -0.28 1.13 0.00 0.24 0.00 0.00 174.94 176.11 1bns s ALA 26 N -1.16 1.76 0.20 2.27 0.00 -1.16 -1.54 121.76 122.14 1bns s ALA 26 Ca -0.07 -0.49 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 1bns s ALA 26 Cb -0.09 -3.04 0.15 0.00 0.00 0.00 0.00 23.12 20.14 1bns s ALA 26 CO 0.00 -2.27 1.86 0.87 0.00 0.00 0.00 175.76 176.22 1bns h LYS 27 N -1.49 0.87 -0.19 0.00 1.57 -1.97 -1.76 116.57 113.60 1bns h LYS 27 Ca -0.50 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.15 1bns h LYS 27 Cb 1.33 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1bns h LYS 27 CO 0.61 0.57 -0.19 0.66 -0.57 0.00 0.00 179.45 180.54 1bns h SER 28 N 0.89 0.31 -0.23 0.86 4.64 -1.98 0.18 113.55 118.23 1bns h SER 28 Ca 0.26 -0.08 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 1bns h SER 28 Cb -0.06 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1bns h SER 28 CO -0.07 0.52 -0.26 -0.33 -0.87 0.00 0.00 176.83 175.82 1bns h GLU 29 N 0.30 0.58 -0.33 4.77 5.08 -1.82 -1.79 114.58 121.36 1bns h GLU 29 Ca 0.05 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1bns h GLU 29 Cb 0.51 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.76 1bns h GLU 29 CO 0.03 0.91 0.20 0.00 -1.00 0.00 0.00 179.01 179.16 1bns h ALA 30 N 0.66 0.43 -0.87 3.43 0.00 -0.94 -2.07 119.26 119.89 1bns h ALA 30 Ca 0.03 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.98 1bns h ALA 30 Cb 0.82 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.42 1bns h ALA 30 CO 0.06 -0.07 0.57 1.96 0.00 0.00 0.00 179.25 181.77 1bns h GLN 31 N 0.43 0.86 -0.11 0.00 4.20 -0.54 0.14 115.11 120.08 1bns h GLN 31 Ca 0.12 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1bns h GLN 31 Cb 0.01 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.60 1bns h GLN 31 CO -0.02 0.57 0.00 0.00 -0.67 0.00 0.00 178.83 178.71 1bns n ALA 32 N -2.41 2.55 1.08 3.87 0.00 -0.68 -2.06 120.51 122.85 1bns n ALA 32 Ca 0.14 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.33 1bns n ALA 32 Cb 0.29 -1.15 0.18 0.00 0.00 0.00 0.00 19.45 18.76 1bns n ALA 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1bns n LEU 33 N -0.07 1.00 0.00 0.00 4.77 -0.07 -4.92 117.00 117.70 1bns n LEU 33 Ca 0.15 -0.30 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1bns n LEU 33 Cb 0.23 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1bns n LEU 33 CO 0.12 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1bns n GLY 34 N 1.44 1.25 3.72 -0.72 0.00 -0.87 -4.88 105.19 105.12 1bns n GLY 34 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1bns n GLY 34 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1bns s TRP 35 N -2.00 3.33 -0.29 1.61 -0.00 -0.56 -4.94 118.94 116.09 1bns s TRP 35 Ca 0.00 1.11 0.02 0.00 -0.00 0.00 0.00 56.10 57.23 1bns s TRP 35 Cb 0.00 -3.57 0.08 0.00 -0.00 0.00 0.00 33.47 29.98 1bns s TRP 35 CO 0.00 -1.91 -0.00 0.08 -0.00 0.00 0.00 176.95 175.12 1bns s VAL 36 N 1.02 1.78 0.26 5.86 1.01 -1.26 -4.44 120.40 124.63 1bns s VAL 36 Ca 0.62 -1.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.84 1bns s VAL 36 Cb -0.34 -2.16 0.35 0.00 0.00 0.00 0.00 36.38 34.23 1bns s VAL 36 CO 0.30 -0.36 1.60 0.00 0.00 0.00 0.00 175.10 176.65 1bns h ALA 37 N 7.83 0.81 0.00 5.51 0.00 -1.99 0.12 119.26 131.54 1bns h ALA 37 Ca -0.13 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1bns h ALA 37 Cb 1.04 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1bns h ALA 37 CO 0.47 -0.45 0.00 -1.13 0.00 0.00 0.00 179.25 178.14 1bns n SER 38 N -5.45 0.31 0.01 0.00 3.41 -1.26 -1.39 113.62 109.25 1bns n SER 38 Ca 0.16 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 1bns n SER 38 Cb 0.53 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 1bns n SER 38 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1bns n LYS 39 N -1.86 0.18 -3.35 4.33 5.02 0.40 -4.96 118.16 117.92 1bns n LYS 39 Ca 0.02 -0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.05 1bns n LYS 39 Cb 0.16 -1.54 0.04 0.00 -0.02 0.00 0.00 35.03 33.68 1bns n LYS 39 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bns n GLY 40 N 1.42 -0.52 1.57 0.72 0.00 -0.48 -4.93 105.19 102.97 1bns n GLY 40 Ca 0.03 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1bns n GLY 40 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1bns n ASN 41 N -2.68 5.14 -0.24 1.61 6.94 -1.25 -3.93 115.26 120.84 1bns n ASN 41 Ca -0.05 -2.93 0.04 0.00 -0.02 0.00 0.00 54.58 51.62 1bns n ASN 41 Cb 0.58 -0.64 0.16 0.00 -2.36 0.00 0.00 39.78 37.52 1bns n ASN 41 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1bns h LEU 42 N 3.34 0.16 -1.42 -4.53 5.85 -1.89 -0.16 115.31 116.65 1bns h LEU 42 Ca 0.00 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1bns h LEU 42 Cb 1.79 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.94 1bns h LEU 42 CO 0.40 0.06 -0.09 0.00 -0.34 0.00 0.00 178.44 178.46 1bns h ALA 43 N 1.53 1.04 0.06 1.25 0.00 -1.84 0.31 119.26 121.60 1bns h ALA 43 Ca 0.38 -0.09 -0.27 0.00 0.00 0.00 0.00 54.91 54.93 1bns h ALA 43 Cb 0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1bns h ALA 43 CO -0.41 0.12 -1.39 -0.44 0.00 0.00 0.00 179.25 177.13 1bns h ASP 44 N 0.00 0.21 0.75 0.00 3.45 -1.38 -3.07 116.42 116.38 1bns h ASP 44 Ca -0.00 -0.28 -0.10 0.00 0.43 0.00 0.00 57.03 57.08 1bns h ASP 44 Cb 0.57 -0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 39.25 1bns h ASP 44 CO 0.01 1.23 -1.32 1.33 -1.57 0.00 0.00 179.24 178.92 1bns n VAL 45 N -3.35 0.91 -3.12 -1.35 0.24 -0.96 -4.61 118.33 106.09 1bns n VAL 45 Ca -0.11 -0.63 -0.20 0.00 -2.04 0.00 0.00 64.34 61.35 1bns n VAL 45 Cb 1.01 -0.54 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 1bns n VAL 45 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bns n ALA 46 N -2.32 1.51 -1.68 2.33 0.00 0.09 -4.92 120.51 115.52 1bns n ALA 46 Ca -0.06 -2.82 -0.45 0.00 0.00 0.00 0.00 53.44 50.11 1bns n ALA 46 Cb 0.72 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 1bns n ALA 46 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1bns n PRO 47 N 1.80 2.12 -0.53 0.00 -0.02 -1.16 -1.95 135.00 135.27 1bns n PRO 47 Ca 0.20 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1bns n PRO 47 Cb 0.54 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 1bns n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bns n GLY 48 N 2.36 1.51 3.87 -1.23 0.00 -1.26 -5.03 105.19 105.40 1bns n GLY 48 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1bns n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bns s LYS 49 N -0.16 3.21 0.08 1.61 -0.14 -0.82 -4.84 119.74 118.67 1bns s LYS 49 Ca 0.00 -0.62 0.08 0.00 -1.36 0.00 0.00 55.97 54.07 1bns s LYS 49 Cb 0.00 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 33.25 1bns s LYS 49 CO 0.00 0.55 -0.21 -1.12 -0.76 0.00 0.00 175.35 173.81 1bns s SER 50 N -2.79 2.57 0.09 2.83 0.01 -0.55 -4.82 113.70 111.04 1bns s SER 50 Ca 0.33 -0.62 -0.30 0.00 1.31 0.00 0.00 55.95 56.66 1bns s SER 50 Cb -0.12 -0.17 -0.06 0.00 0.21 0.00 0.00 66.02 65.88 1bns s SER 50 CO 0.26 0.11 1.12 -0.63 0.41 0.00 0.00 173.24 174.51 1bns s ILE 51 N -1.00 4.13 -0.10 1.44 -1.09 -1.26 -0.54 121.20 122.78 1bns s ILE 51 Ca 0.07 1.64 -0.30 0.00 -2.23 0.00 0.00 60.65 59.83 1bns s ILE 51 Cb -0.10 -4.05 0.09 0.00 -1.58 0.00 0.00 42.46 36.83 1bns s ILE 51 CO 0.03 0.18 0.80 -0.83 -1.23 0.00 0.00 174.94 173.90 1bns s GLY 52 N 0.61 -0.46 0.00 6.18 0.00 -0.59 -0.47 107.32 112.59 1bns s GLY 52 Ca 0.54 1.64 0.00 0.00 0.00 0.00 0.00 44.72 46.90 1bns s GLY 52 CO 0.31 1.05 0.00 0.61 0.00 0.00 0.00 173.10 175.07 1bns n GLY 53 N 0.97 0.64 3.88 0.20 0.00 0.25 -2.99 105.19 108.14 1bns n GLY 53 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1bns n GLY 53 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bns s ASP 54 N -1.98 6.32 0.23 1.61 1.01 -1.25 -4.78 116.67 117.83 1bns s ASP 54 Ca 0.00 1.22 -0.30 0.00 0.71 0.00 0.00 52.55 54.18 1bns s ASP 54 Cb 0.00 -2.37 -0.10 0.00 1.01 0.00 0.00 42.92 41.46 1bns s ASP 54 CO 0.00 -0.67 1.42 -0.63 0.21 0.00 0.00 175.17 175.50 1bns s ILE 55 N -2.85 2.79 -0.18 0.77 -1.09 -1.26 -1.11 121.20 118.26 1bns s ILE 55 Ca 0.52 0.65 -0.06 0.00 -2.23 0.00 0.00 60.65 59.53 1bns s ILE 55 Cb -0.11 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.32 1bns s ILE 55 CO 0.45 0.10 0.03 0.12 -1.23 0.00 0.00 174.94 174.41 1bns s PHE 56 N 0.09 3.16 0.27 3.97 5.36 0.78 -4.81 117.98 126.81 1bns s PHE 56 Ca 0.59 -0.10 0.07 0.00 -0.96 0.00 0.00 56.93 56.54 1bns s PHE 56 Cb -0.41 -2.05 0.38 0.00 -0.34 0.00 0.00 43.02 40.60 1bns s PHE 56 CO 0.41 0.04 1.64 1.03 -1.46 0.00 0.00 175.22 176.88 1bns h SER 57 N 6.85 0.19 -4.11 6.13 0.87 -1.95 -3.38 113.55 118.15 1bns h SER 57 Ca -0.35 -0.09 -0.37 0.00 -1.23 0.00 0.00 61.79 59.74 1bns h SER 57 Cb 1.18 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1bns h SER 57 CO 0.67 0.68 -0.52 -3.20 -0.53 0.00 0.00 176.83 173.93 1bns n ASN 58 N -3.93 -5.23 0.03 6.23 5.15 -1.26 -4.91 115.26 111.35 1bns n ASN 58 Ca -0.02 -0.13 0.07 0.00 -0.60 0.00 0.00 54.58 53.90 1bns n ASN 58 Cb 0.55 -4.31 0.48 0.00 -0.53 0.00 0.00 39.78 35.98 1bns n ASN 58 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1bns h ARG 59 N -0.66 0.40 -0.06 1.20 3.08 -1.99 -0.97 114.38 115.38 1bns h ARG 59 Ca -0.46 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1bns h ARG 59 Cb 1.32 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1bns h ARG 59 CO 0.52 0.27 0.00 0.39 -1.07 0.00 0.00 179.97 180.08 1bns n GLU 60 N -4.48 1.60 -1.75 0.04 4.71 -1.26 -4.93 120.64 114.56 1bns n GLU 60 Ca 0.03 -0.88 -0.14 0.00 -0.01 0.00 0.00 57.16 56.16 1bns n GLU 60 Cb 0.13 -1.44 -0.04 0.00 -1.01 0.00 0.00 31.44 29.08 1bns n GLU 60 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1bns n GLY 61 N 1.13 0.76 0.20 0.62 0.00 -0.37 -4.90 105.19 102.63 1bns n GLY 61 Ca 0.18 -0.35 0.05 0.00 0.00 0.00 0.00 46.02 45.90 1bns n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bns h LYS 62 N 0.00 0.00 -6.18 1.61 1.57 -1.92 -3.42 116.57 108.23 1bns h LYS 62 Ca -0.30 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.84 1bns h LYS 62 Cb 1.04 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.26 1bns h LYS 62 CO 0.40 0.33 -0.60 -0.51 -0.57 0.00 0.00 179.45 178.50 1bns s LEU 63 N -7.71 3.80 -0.00 2.94 1.43 -1.26 -4.96 118.68 112.92 1bns s LEU 63 Ca -0.02 -0.00 -0.35 0.00 -1.03 0.00 0.00 54.13 52.73 1bns s LEU 63 Cb 0.13 -2.47 -0.13 0.00 0.03 0.00 0.00 46.19 43.75 1bns s LEU 63 CO 0.69 0.18 1.73 -2.65 0.23 0.00 0.00 176.35 176.53 1bns n PRO 64 N 0.50 2.04 -4.01 1.29 -0.01 -1.26 -4.97 135.00 128.58 1bns n PRO 64 Ca -0.09 0.74 -0.22 0.00 -0.01 0.00 0.00 63.50 63.93 1bns n PRO 64 Cb 0.52 -2.54 -0.05 0.00 -0.01 0.00 0.00 33.50 31.42 1bns n PRO 64 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1bns s GLY 65 N 2.71 1.67 -0.12 -1.23 0.00 -1.26 -5.09 107.32 104.00 1bns s GLY 65 Ca 0.88 -1.61 -0.30 0.00 0.00 0.00 0.00 44.72 43.69 1bns s GLY 65 CO 0.47 -1.58 0.92 1.25 0.00 0.00 0.00 173.10 174.16 1bns s LYS 66 N -3.89 0.71 0.37 2.90 2.20 -1.26 -5.08 119.74 115.70 1bns s LYS 66 Ca 0.37 0.10 -0.28 0.00 -0.36 0.00 0.00 55.97 55.80 1bns s LYS 66 Cb -0.06 0.34 -0.11 0.00 -1.51 0.00 0.00 37.83 36.49 1bns s LYS 66 CO 0.25 -0.24 1.44 -1.54 -0.36 0.00 0.00 175.35 174.89 1bns s SER 67 N -1.33 6.40 0.00 1.43 1.04 -1.26 -2.58 113.70 117.39 1bns s SER 67 Ca -0.02 2.95 0.00 0.00 0.48 0.00 0.00 55.95 59.36 1bns s SER 67 Cb -0.00 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1bns s SER 67 CO 0.01 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1bns n GLY 68 N 0.55 2.77 3.71 7.32 0.00 -1.26 -5.02 105.19 113.26 1bns n GLY 68 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1bns n GLY 68 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1bns s ARG 69 N -0.16 4.53 0.03 1.61 3.52 -1.07 -4.98 118.95 122.44 1bns s ARG 69 Ca 0.00 1.31 0.08 0.00 -0.13 0.00 0.00 55.73 56.99 1bns s ARG 69 Cb 0.00 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1bns s ARG 69 CO 0.00 -0.04 -0.22 0.95 -0.81 0.00 0.00 175.30 175.18 1bns s THR 70 N 1.02 1.76 -0.11 4.11 -4.23 -1.26 -4.80 115.64 112.14 1bns s THR 70 Ca 0.49 -1.19 -0.02 0.00 -1.18 0.00 0.00 61.69 59.79 1bns s THR 70 Cb -0.20 -1.51 -0.03 0.00 1.34 0.00 0.00 72.50 72.09 1bns s THR 70 CO 0.26 0.28 -0.04 0.26 -0.54 0.00 0.00 174.62 174.84 1bns s TRP 71 N -0.75 3.03 0.14 3.99 0.52 -1.26 -0.62 118.94 123.99 1bns s TRP 71 Ca 0.08 -0.07 0.08 0.00 0.02 0.00 0.00 56.10 56.21 1bns s TRP 71 Cb -0.09 -1.84 -0.04 0.00 -1.15 0.00 0.00 33.47 30.35 1bns s TRP 71 CO 0.01 0.20 -0.19 1.03 0.02 0.00 0.00 176.95 178.03 1bns s ARG 72 N -0.31 1.20 0.32 4.98 0.52 0.10 -0.15 118.95 125.62 1bns s ARG 72 Ca 0.05 -1.32 0.10 0.00 -0.52 0.00 0.00 55.73 54.04 1bns s ARG 72 Cb -0.12 -1.31 -0.06 0.00 0.52 0.00 0.00 34.95 33.98 1bns s ARG 72 CO 0.02 0.28 -0.07 -1.83 0.02 0.00 0.00 175.30 173.72 1bns s GLU 73 N -2.51 1.91 -0.12 3.54 -1.05 -0.27 -0.62 118.70 119.58 1bns s GLU 73 Ca 0.12 -1.80 -0.10 0.00 -0.15 0.00 0.00 54.97 53.04 1bns s GLU 73 Cb -0.07 -1.83 0.04 0.00 -0.44 0.00 0.00 34.13 31.83 1bns s GLU 73 CO 0.06 0.19 0.31 0.00 0.95 0.00 0.00 175.26 176.77 1bns s ALA 74 N -2.54 -0.77 0.37 -0.84 0.00 0.11 -0.58 121.76 117.50 1bns s ALA 74 Ca 0.33 0.98 -0.26 0.00 0.00 0.00 0.00 51.96 53.00 1bns s ALA 74 Cb -0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 23.12 22.44 1bns s ALA 74 CO 0.17 -0.17 1.18 -0.51 0.00 0.00 0.00 175.76 176.44 1bns s ASP 75 N 0.50 6.69 0.14 0.00 1.11 0.37 -1.16 116.67 124.32 1bns s ASP 75 Ca -0.03 2.39 0.11 0.00 0.18 0.00 0.00 52.55 55.21 1bns s ASP 75 Cb -0.04 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.28 1bns s ASP 75 CO -0.03 -0.57 -0.26 -0.63 1.18 0.00 0.00 175.17 174.87 1bns s ILE 76 N -1.33 2.24 -2.21 0.77 -1.09 -0.81 -4.68 121.20 114.10 1bns s ILE 76 Ca 0.54 -1.80 0.00 0.00 -2.23 0.00 0.00 60.65 57.15 1bns s ILE 76 Cb -0.32 -2.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.56 1bns s ILE 76 CO 0.41 0.03 0.00 0.59 -1.23 0.00 0.00 174.94 174.75 1bns n ASN 77 N 0.78 -5.53 -4.79 3.58 3.02 -0.24 -4.52 115.26 107.56 1bns n ASN 77 Ca -0.17 0.50 -0.38 0.00 -0.03 0.00 0.00 54.58 54.50 1bns n ASN 77 Cb 0.54 -4.86 -0.06 0.00 -0.61 0.00 0.00 39.78 34.78 1bns n ASN 77 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1bns s TYR 78 N -2.79 3.77 0.00 3.10 5.04 -1.26 -4.94 117.35 120.27 1bns s TYR 78 Ca 0.00 1.55 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1bns s TYR 78 Cb 0.00 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.58 1bns s TYR 78 CO 0.00 0.40 0.00 0.25 -1.34 0.00 0.00 175.55 174.86 1bns n THR 79 N 1.07 0.00 -3.63 4.34 -2.24 -1.26 -4.94 114.28 107.63 1bns n THR 79 Ca -0.03 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.69 1bns n THR 79 Cb 0.50 -0.93 -0.02 0.00 -2.10 0.00 0.00 70.33 67.78 1bns n THR 79 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1bns s SER 80 N -4.73 -0.27 0.00 3.42 1.04 -1.26 -4.73 113.70 107.17 1bns s SER 80 Ca 0.00 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1bns s SER 80 Cb 0.00 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1bns s SER 80 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1bns n GLY 81 N -0.36 -0.99 3.77 7.32 0.00 -1.25 -4.92 105.19 108.75 1bns n GLY 81 Ca -0.07 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 1bns n GLY 81 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bns s PHE 82 N 0.00 2.57 0.58 1.61 0.40 -1.25 -4.49 117.98 117.39 1bns s PHE 82 Ca 0.00 1.54 -0.20 0.00 -0.60 0.00 0.00 56.93 57.67 1bns s PHE 82 Cb 0.00 -3.33 -0.04 0.00 0.51 0.00 0.00 43.02 40.17 1bns s PHE 82 CO 0.00 -1.80 1.31 1.03 0.70 0.00 0.00 175.22 176.46 1bns s ARG 83 N -3.46 2.98 0.00 0.44 0.52 -1.26 -5.01 118.95 113.16 1bns s ARG 83 Ca 0.73 2.10 0.00 0.00 -0.52 0.00 0.00 55.73 58.04 1bns s ARG 83 Cb -0.25 -2.10 0.00 0.00 0.52 0.00 0.00 34.95 33.12 1bns s ARG 83 CO 0.32 -1.28 0.00 0.27 0.02 0.00 0.00 175.30 174.63 1bns n ASN 84 N -1.33 0.00 -0.76 0.23 0.23 -1.26 -5.06 115.26 107.31 1bns n ASN 84 Ca 0.12 -0.66 0.07 0.00 -0.53 0.00 0.00 54.58 53.58 1bns n ASN 84 Cb 0.47 0.00 0.19 0.00 -2.08 0.00 0.00 39.78 38.36 1bns n ASN 84 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1bns n SER 85 N -1.98 3.23 -4.67 0.53 3.41 -1.26 -4.96 113.62 107.92 1bns n SER 85 Ca 0.00 -2.21 -0.40 0.00 -0.26 0.00 0.00 58.87 56.01 1bns n SER 85 Cb 0.00 -0.31 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 1bns n SER 85 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1bns s ASP 86 N -1.17 6.68 -0.01 4.04 1.01 -1.26 -1.95 116.67 124.01 1bns s ASP 86 Ca 0.29 0.83 -0.03 0.00 0.71 0.00 0.00 52.55 54.35 1bns s ASP 86 Cb 0.18 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.77 1bns s ASP 86 CO 0.16 -0.22 0.06 -0.13 0.21 0.00 0.00 175.17 175.25 1bns s ARG 87 N 1.67 0.21 -0.15 8.23 1.81 -0.43 -1.92 118.95 128.37 1bns s ARG 87 Ca 0.28 -0.16 -0.05 0.00 -1.72 0.00 0.00 55.73 54.08 1bns s ARG 87 Cb -0.16 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.39 1bns s ARG 87 CO 0.11 -0.04 0.04 -1.50 -0.68 0.00 0.00 175.30 173.22 1bns s ILE 88 N -0.58 4.57 -0.12 1.52 2.07 -0.30 -1.24 121.20 127.12 1bns s ILE 88 Ca -0.07 -0.12 0.03 0.00 -1.41 0.00 0.00 60.65 59.08 1bns s ILE 88 Cb -0.04 -3.01 0.01 0.00 0.13 0.00 0.00 42.46 39.55 1bns s ILE 88 CO 0.00 0.51 -0.20 -0.76 -1.91 0.00 0.00 174.94 172.58 1bns s LEU 89 N -0.05 1.98 -0.01 8.50 1.02 -0.44 -0.71 118.68 128.97 1bns s LEU 89 Ca 0.05 -0.53 0.02 0.00 0.02 0.00 0.00 54.13 53.69 1bns s LEU 89 Cb -0.12 -1.30 -0.00 0.00 0.02 0.00 0.00 46.19 44.78 1bns s LEU 89 CO 0.01 0.08 -0.06 -0.72 0.02 0.00 0.00 176.35 175.69 1bns s TYR 90 N 0.72 0.54 0.47 0.29 -0.85 0.20 -0.75 117.35 117.97 1bns s TYR 90 Ca -0.11 -0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.38 1bns s TYR 90 Cb -0.16 -0.35 0.02 0.00 0.38 0.00 0.00 41.96 41.85 1bns s TYR 90 CO 0.01 -0.01 0.66 -1.54 -1.52 0.00 0.00 175.55 173.16 1bns s SER 91 N -0.13 5.57 0.49 -0.18 1.04 -0.54 0.01 113.70 119.96 1bns s SER 91 Ca 0.02 -0.09 0.33 0.00 0.48 0.00 0.00 55.95 56.69 1bns s SER 91 Cb -0.02 -0.98 1.50 0.00 0.10 0.00 0.00 66.02 66.61 1bns s SER 91 CO -0.00 -0.87 1.98 0.77 0.98 0.00 0.00 173.24 176.10 1bns h SER 92 N 0.38 0.00 -0.23 7.02 4.64 -1.21 -2.06 113.55 122.09 1bns h SER 92 Ca -0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.84 1bns h SER 92 Cb 1.28 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.34 1bns h SER 92 CO 0.51 0.00 -0.04 -0.90 -0.87 0.00 0.00 176.83 175.53 1bns n ASP 93 N -2.83 3.07 -3.36 4.97 5.75 -1.26 -4.98 116.55 117.91 1bns n ASP 93 Ca -0.00 -3.31 -0.22 0.00 -0.01 0.00 0.00 54.79 51.25 1bns n ASP 93 Cb 0.21 -0.55 0.07 0.00 -1.03 0.00 0.00 41.12 39.83 1bns n ASP 93 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1bns n TRP 94 N -0.90 -2.64 -3.32 2.11 7.02 -0.78 -5.03 117.44 113.90 1bns n TRP 94 Ca 0.24 0.94 -0.35 0.00 -1.02 0.00 0.00 57.50 57.31 1bns n TRP 94 Cb 0.88 -4.76 -0.06 0.00 -2.42 0.00 0.00 31.31 24.96 1bns n TRP 94 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1bns s LEU 95 N -6.80 4.30 -0.08 -0.99 1.43 -1.26 -4.86 118.68 110.42 1bns s LEU 95 Ca 0.51 1.11 0.01 0.00 -1.03 0.00 0.00 54.13 54.73 1bns s LEU 95 Cb -0.23 -3.40 0.02 0.00 0.03 0.00 0.00 46.19 42.62 1bns s LEU 95 CO 0.68 0.06 -0.09 -0.63 0.23 0.00 0.00 176.35 176.59 1bns s ILE 96 N -1.54 1.00 0.23 -0.59 1.01 -0.78 -1.46 121.20 119.06 1bns s ILE 96 Ca 0.40 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.78 1bns s ILE 96 Cb -0.14 -0.97 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 1bns s ILE 96 CO 0.20 0.34 -0.11 -0.31 0.00 0.00 0.00 174.94 175.06 1bns s TYR 97 N 1.13 1.76 0.10 3.97 1.51 0.07 0.13 117.35 126.01 1bns s TYR 97 Ca -0.06 -0.63 0.03 0.00 -1.01 0.00 0.00 57.07 55.40 1bns s TYR 97 Cb -0.14 -0.88 -0.04 0.00 -0.11 0.00 0.00 41.96 40.79 1bns s TYR 97 CO -0.02 0.31 -0.09 -1.59 -1.11 0.00 0.00 175.55 173.05 1bns s LYS 98 N -3.68 0.85 0.05 -0.62 -2.85 0.93 -1.33 119.74 113.08 1bns s LYS 98 Ca 0.25 -1.20 0.05 0.00 -1.00 0.00 0.00 55.97 54.06 1bns s LYS 98 Cb 0.01 -0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 35.29 1bns s LYS 98 CO 0.08 0.06 -0.13 -0.08 0.10 0.00 0.00 175.35 175.38 1bns s THR 99 N -2.71 1.03 -0.02 3.79 -1.32 -0.37 -1.51 115.64 114.53 1bns s THR 99 Ca 0.07 -1.12 0.03 0.00 -1.21 0.00 0.00 61.69 59.46 1bns s THR 99 Cb -0.01 -0.97 0.04 0.00 -1.51 0.00 0.00 72.50 70.05 1bns s THR 99 CO -0.01 -0.13 0.84 0.35 -2.21 0.00 0.00 174.62 173.46 1bns n THR 100 N 1.61 0.54 -2.79 5.08 -2.24 -1.25 -1.32 114.28 113.91 1bns n THR 100 Ca -0.20 -0.60 -0.01 0.00 -2.27 0.00 0.00 64.05 60.96 1bns n THR 100 Cb 0.55 0.57 0.05 0.00 -2.10 0.00 0.00 70.33 69.39 1bns n THR 100 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1bns n ASP 101 N -0.35 1.77 -3.43 3.42 3.85 -1.20 -4.69 116.55 115.92 1bns n ASP 101 Ca 0.02 -2.13 -0.21 0.00 -0.71 0.00 0.00 54.79 51.76 1bns n ASP 101 Cb 0.50 -0.47 0.06 0.00 -1.35 0.00 0.00 41.12 39.86 1bns n ASP 101 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1bns n HIS 102 N -0.60 -2.24 -1.60 2.11 -0.00 -0.82 -2.91 115.22 109.16 1bns n HIS 102 Ca 0.09 0.71 -0.19 0.00 0.46 0.00 0.00 57.72 58.79 1bns n HIS 102 Cb 0.81 -3.90 -0.08 0.00 -0.12 0.00 0.00 29.99 26.71 1bns n HIS 102 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1bns n TYR 103 N -3.63 -0.13 0.12 1.57 4.02 -1.26 -4.89 117.16 112.95 1bns n TYR 103 Ca -0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.62 1bns n TYR 103 Cb 0.61 -3.30 -0.15 0.00 -0.02 0.00 0.00 39.34 36.48 1bns n TYR 103 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1bns h GLN 104 N 0.00 0.34 -3.93 -0.72 4.20 -1.94 -3.46 115.11 109.60 1bns h GLN 104 Ca -0.40 -0.59 -0.14 0.00 0.06 0.00 0.00 58.65 57.58 1bns h GLN 104 Cb 1.25 0.22 -0.18 0.00 0.30 0.00 0.00 27.48 29.07 1bns h GLN 104 CO 0.57 1.28 -0.61 0.95 -0.67 0.00 0.00 178.83 180.35 1bns s THR 105 N -2.64 0.14 0.09 -0.54 -4.23 -1.26 -5.11 115.64 102.09 1bns s THR 105 Ca -0.05 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 1bns s THR 105 Cb 0.06 -0.77 -0.03 0.00 1.34 0.00 0.00 72.50 73.10 1bns s THR 105 CO 0.90 -0.63 -0.13 -0.36 -0.54 0.00 0.00 174.62 173.86 1bns s PHE 106 N -2.38 1.22 -0.08 3.99 0.40 -1.26 -4.40 117.98 115.47 1bns s PHE 106 Ca -0.07 -0.53 0.01 0.00 -0.60 0.00 0.00 56.93 55.74 1bns s PHE 106 Cb -0.03 -0.67 0.02 0.00 0.51 0.00 0.00 43.02 42.85 1bns s PHE 106 CO -0.04 0.07 -0.10 0.99 0.70 0.00 0.00 175.22 176.84 1bns s THR 107 N -1.78 1.04 0.23 0.64 2.01 -0.57 -4.93 115.64 112.28 1bns s THR 107 Ca 0.02 -0.38 -0.30 0.00 0.31 0.00 0.00 61.69 61.34 1bns s THR 107 Cb -0.07 -0.99 -0.10 0.00 0.01 0.00 0.00 72.50 71.35 1bns s THR 107 CO 0.02 0.35 1.48 -0.75 -0.69 0.00 0.00 174.62 175.03 1bns s LYS 108 N 1.02 4.24 0.00 4.92 2.20 -1.26 -0.05 119.74 130.81 1bns s LYS 108 Ca -0.08 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1bns s LYS 108 Cb -0.15 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1bns s LYS 108 CO -0.00 -0.48 0.00 0.44 -0.36 0.00 0.00 175.35 174.94 1bns n ILE 109 N 2.76 0.00 -1.54 5.43 -5.35 0.12 -4.90 119.36 115.87 1bns n ILE 109 Ca 0.09 -0.24 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1bns n ILE 109 Cb 0.40 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 1bns n ILE 109 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33